General Information of the Compound
| Compound ID |
CP0355875
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| Compound Name |
1-[5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)-6-(4,4,4-trifluorobutoxy)pyridin-2-yl]oxy-2-methylpropan-2-ol
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| Formula |
C21H26F3NO6S
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| Molecular Weight |
477.501
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| Canonical SMILES |
CC(C)(O)COc1nc(OCCCC(F)(F)F)c(CO)cc1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H26F3NO6S/c1-20(2,27)13-31-19-17(14-5-7-16(8-6-14)32(3,28)29)11-15(12-26)18(25-19)30-10-4-9-21(22,23)24/h5-8,11,26-27H,4,9-10,12-13H2,1-3H3
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| InChIKey |
XJUNHUOEBRIQIM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound